Structure of PDB 8zrk Chain R Binding Site BS01

Receptor Information

>8zrk Chain R (length=272) Species: 9606 (Homo sapiens)

SFGVILAVLASLIIATNTLVAVAVLLLIHKNDGVSLCFTLNLAVADTLIG
VAISGLLTDQQKTLCSLRMAFVTSSAAASVLTVMLITFDRYLAIKQPFRY
LKIMSGFVAGACIAGLWLVSYLIGFLPLGIPMFQQTAYKGQCSFFAVFHP
HFVLTLSCVGFFPAMLLFVFFYCDMLKIASMHSQQIRKMEHAGAMAGSDF
KALRTVSVLIGSFALSWTPFLITGIVQVACQECHLYLVLERYLWLLGVGN
SLLNPLIYAYWQKEVRLQLYHM

Ligand information

• Ligand ID: A1D8Y
• InChI: InChI=1S/C23H28N4O4S/c1-16(2)22-25-23(31-26-22)27-12-10-17(11-13-27)15-30-19-6-9-21(24-14-19)18-4-7-20(8-5-18)32(3,28)29/h4-9,14,16-17H,10-13,15H2,1-3H3
• InChIKey: AYJRTVVIBJSSKN-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385: CC(C)c1noc(n1)N2CCC(CC2)COc3ccc(nc3)c4ccc(cc4)[S](C)(=O)=O
  OpenEye OEToolkits 2.0.7: CC(C)c1nc(on1)N2CCC(CC2)COc3ccc(nc3)c4ccc(cc4)S(=O)(=O)C
• Formula: C23 H28 N4 O4 S
• Name: 5-[4-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;
  GSK1292263
• PDB chain: 8zrk Chain R Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8zrk Cryo-EM structure of GPR119-Gs complex
• Resolution: 2.82 Å
• Binding residue (original residue number in PDB): M82 V93 S156 F157 L169 W265
• Binding residue (residue number reindexed from 1): M69 V80 S143 F144 L156 W244
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0004930 G protein-coupled receptor activity
• GO:0005515 protein binding
• GO:0008289 lipid binding
• GO:0031210 phosphatidylcholine binding

Biological Process

• GO:0007186 G protein-coupled receptor signaling pathway
• GO:0007189 adenylate cyclase-activating G protein-coupled receptor signaling pathway
• GO:0019222 regulation of metabolic process
• GO:0030073 insulin secretion

Cellular Component

• GO:0005737 cytoplasm
• GO:0005886 plasma membrane
• GO:0043235 receptor complex

External links

• PDB: RCSB:8zrk, PDBe:8zrk, PDBj:8zrk
• PDBsum: 8zrk
• UniProt: Q8TDV5|GP119_HUMAN Glucose-dependent insulinotropic receptor (Gene Name=GPR119)